Monomers

2-Propenyl trimethylacetate

Identifiers

IUPAC name
prop-2-enyl 2,2-dimethylpropanoate
InchI
InChI=1S/C8H14O2/c1-5-6-10-7(9)8(2,3)4/h5H,1,6H2,2-4H3
InchI Key
GVVKBARIYRBZHC-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(C)(C)C
Canonical SMILES
CC(C)(C)C(=O)OCC=C
Isomeric SMILES
CC(C)(C)C(=O)OCC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H14O2
Heavy Atom Count
10
Molecular Weight
142.198
Exact Molecular Weight
142.0994
Valence Electrons
58
Radical Electrons
0
tPSA
26.3
MolLogP
1.7617
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 24 23  0  0  0  0  0  0  0  0999 V2000
    3.6319   -0.2137    0.5369 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8496    0.5755   -0.1883 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8731    1.4925    0.4599 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5594    1.2240    0.0740 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0040   -0.0202    0.3224 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7196   -0.8711    0.9011 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3980   -0.3465   -0.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3865    0.5817    0.6024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6908   -1.7773    0.3113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5030   -0.1472   -1.5793 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5539   -0.1848    1.5991 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3425   -0.8815    0.0770 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9334    0.5422   -1.2736 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0288    1.5479    1.5387 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1197    2.5207    0.0613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8699    1.1661    1.3987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2297    0.0271    1.0416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8188    1.3237   -0.1005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8019   -2.3941    0.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9063   -1.7835    1.3981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5554   -2.1572   -0.2809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9473   -0.9618   -2.0687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5557   -0.0594   -1.9059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9446    0.7970   -1.7986 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  8 16  1  0
  8 17  1  0
  8 18  1  0
  9 19  1  0
  9 20  1  0
  9 21  1  0
 10 22  1  0
 10 23  1  0
 10 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers